(001)-surface-induced bulk states and surface resonances in II-VI zinc-blende semiconductors

Abstract

In a previous paper [Phys. Rev. 50, 1980 (1994)] we gave an account of the nondispersive band found experimentally at -4.4 for CdTe(001) by Niles and H\"ochst. We have characterized this band as a surface-induced bulk state. In a second paper we showed that a similar state does exist in II-VI and III-V zinc-blende semiconductor compounds. In this paper we show that there are more such states within the valence-band energy interval. We use tight-binding Hamiltonians and the surface-Green's-function matching method to calculate the surface resonances and surface-induced bulk states in the zinc-blende semiconductors CdTe, CdSe, ZnTe, and ZnSe. We find one distinctive surface resonance for the cation- and two for the anion-terminated (001) surface and three (001)-surface-induced bulk states with energies that correspond to the value of the heavy-hole, light-hole, and spin-orbit bands at X.